methyl 2-[6-nitro-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ketochromene-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H13N3O7S MolecularWeight: 439.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H13N3O7S/c1-29-17(24)9-22-14-7-6-11(23(27)28)8-16(14)31-20(22)21-19(26)13-10-30-15-5-3-2-4-12(15)18(13)25/h2-8,10H,9H2,1H3